N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide

C16H22N4O3S — CID 118022060

IUPACN-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C16H22N4O3S/c1-4-6-7-12-10-17-16(19-24(22,23)5-2)18-15(12)13-8-9-14(21)20(3)11-13/h8-11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyFRJBUXIWNLWSPG-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.95
Rot. Bonds7

About N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide

N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide (PubChem CID 118022060) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
PubChem CID118022060
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCCCc1cnc(NS(=O)(=O)CC)nc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C16H22N4O3S/c1-4-6-7-12-10-17-16(19-24(22,23)5-2)18-15(12)13-8-9-14(21)20(3)11-13/h8-11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyFRJBUXIWNLWSPG-UHFFFAOYSA-N
XLogP1.95
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide (CID 118022060) is N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide is CCCCc1cnc(NS(=O)(=O)CC)nc1-c1ccc(=O)n(C)c1.
What is the InChIKey of N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
The InChIKey is FRJBUXIWNLWSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-4-6-7-12-10-17-16(19-24(22,23)5-2)18-15(12)13-8-9-14(21)20(3)11-13/h8-11H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide?
N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-butyl-4-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118022060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).